N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide iodide

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide iodide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide iodide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-N-[(1-propyl-4-pyridin-1-iumyl)methyl]methanesulfonamide iodide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide iodide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]methanesulfonamide iodide Formula: C33H55IN2O3S MolecularWeight: 686.77087

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CCC)S(=O)(=O)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CCC)S(=O)(=O)C)C(C)(C)C.[I-]

InChI

InChI=1S/C33H55N2O3S.HI/c1-7-9-10-11-12-13-14-15-16-17-25-38-32-19-18-30(26-31(32)33(3,4)5)28-35(39(6,36)37)27-29-20-23-34(22-8-2)24-21-29;/h18-21,23-24,26H,7-17,22,25,27-28H2,1-6H3;1H/q+1;/p-1